2-[[4-(2-methoxyphenyl)-2-nitro-phenyl]carbamoyl]cyclopentene-1-carboxylic acid

Systemtic Name: 2-[[4-(2-methoxyphenyl)-2-nitro-phenyl]carbamoyl]cyclopentene-1-carboxylic acid Openeye Name: 2-[[4-(2-methoxyphenyl)-2-nitro-phenyl]carbamoyl]cyclopentene-1-carboxylic acid CAS Name: 2-[[4-(2-methoxyphenyl)-2-nitroanilino]-oxomethyl]-1-cyclopentenecarboxylic acid IUPAC Name: 2-[[4-(2-methoxyphenyl)-2-nitrophenyl]carbamoyl]cyclopentene-1-carboxylic acid Traditional Name: 2-[[4-(2-methoxyphenyl)-2-nitro-phenyl]carbamoyl]cyclopentene-1-carboxylic acid Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6/c1-28-18-8-3-2-5-13(18)12-9-10-16(17(11-12)22(26)27)21-19(23)14-6-4-7-15(14)20(24)25/h2-3,5,8-11H,4,6-7H2,1H3,(H,21,23)(H,24,25)