6-butyl-1-[(4-methoxycarbonylphenyl)amino]-5-nitro-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-butyl-1-[(4-methoxycarbonylphenyl)amino]-5-nitro-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-butyl-1-(4-methoxycarbonylanilino)-5-nitro-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 6-butyl-1-(4-methoxycarbonylanilino)-5-nitro-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-butyl-1-(4-methoxycarbonylanilino)-5-nitrocyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 6-butyl-1-(4-carbomethoxyanilino)-5-nitro-cyclohexa-2,4-diene-1-carboxylic acid Formula: C19H22N2O6 MolecularWeight: 374.38778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=CC=CC1(C(=O)O)NC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1C(=CC=CC1(C(=O)O)NC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O6/c1-3-4-6-15-16(21(25)26)7-5-12-19(15,18(23)24)20-14-10-8-13(9-11-14)17(22)27-2/h5,7-12,15,20H,3-4,6H2,1-2H3,(H,23,24)