4-[(7-methoxynaphthalen-1-yl)-(4-methyl-3-nitro-phenyl)carbonyl-amino]butanoic acid

Systemtic Name: 4-[(7-methoxynaphthalen-1-yl)-(4-methyl-3-nitro-phenyl)carbonyl-amino]butanoic acid Openeye Name: 4-[(7-methoxy-1-naphthyl)-(4-methyl-3-nitro-benzoyl)amino]butanoic acid CAS Name: 4-[(7-methoxy-1-naphthalenyl)-[(4-methyl-3-nitrophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(7-methoxynaphthalen-1-yl)-(4-methyl-3-nitrobenzoyl)amino]butanoic acid Traditional Name: 4-[(7-methoxy-1-naphthyl)-(4-methyl-3-nitro-benzoyl)amino]butyric acid Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCCC(=O)O)C2=CC=CC3=C2C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCCC(=O)O)C2=CC=CC3=C2C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O6/c1-15-8-9-17(13-21(15)25(29)30)23(28)24(12-4-7-22(26)27)20-6-3-5-16-10-11-18(31-2)14-19(16)20/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,26,27)