V48
Summary
| Name: | (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate |
| Formula: | C16 H13 N O6 |
| Formal charge: | 0 |
| Formula weight: | 315.278 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H13NO6/c1-22-13-4-2-3-11(7-13)9-16(19)23-15-8-12(10-18)5-6-14(15)17(20)21/h2-8,10H,9H2,1H3 |
| InChIKey | InChI | 1.03 | MGGKYUHZRNHYQB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(CC(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)c1 |
| SMILES | CACTVS | 3.385 | COc1cccc(CC(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)CC(=O)Oc2cc(ccc2[N+](=O)[O-])C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)CC(=O)Oc2cc(ccc2[N+](=O)[O-])C=O |
