2-[carboxymethyl-[5-methoxy-4-methyl-2-[(4-nitrophenyl)diazenyl]phenyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[5-methoxy-4-methyl-2-[(4-nitrophenyl)diazenyl]phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-5-methoxy-4-methyl-2-(4-nitrophenyl)azo-anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-5-methoxy-4-methyl-2-(4-nitrophenyl)azoanilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-5-methoxy-4-methyl-2-[(4-nitrophenyl)diazenyl]anilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-5-methoxy-4-methyl-2-(4-nitrophenyl)azo-anilino]acetic acid Formula: C18H18N4O7 MolecularWeight: 402.35812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC)N(CC(=O)O)CC(=O)O)N=NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1OC)N(CC(=O)O)CC(=O)O)N=NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O7/c1-11-7-14(20-19-12-3-5-13(6-4-12)22(27)28)15(8-16(11)29-2)21(9-17(23)24)10-18(25)26/h3-8H,9-10H2,1-2H3,(H,23,24)(H,25,26)