A1IQY
Summary
| Name: | methyl (~{Z})-2-methyl-3-(4-nitrophenyl)prop-2-enoate |
| Formula: | C11 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 221.209 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (~{Z})-2-methyl-3-(4-nitrophenyl)prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H11NO4/c1-8(11(13)16-2)7-9-3-5-10(6-4-9)12(14)15/h3-7H,1-2H3/b8-7- |
| InChIKey | InChI | 1.06 | PSKQMOVEPBBTCO-FPLPWBNLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)\C(C)=C/c1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | COC(=O)C(C)=Cc1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=C/c1ccc(cc1)[N+](=O)[O-])/C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=Cc1ccc(cc1)[N+](=O)[O-])C(=O)OC |
