2-[2-acetyloxyethyl-[3-benzamido-4-[(4-nitrophenyl)diazenyl]phenyl]amino]ethyl ethanoate

Systemtic Name: 2-[2-acetyloxyethyl-[3-benzamido-4-[(4-nitrophenyl)diazenyl]phenyl]amino]ethyl ethanoate Openeye Name: 2-[N-(2-acetoxyethyl)-3-benzamido-4-(4-nitrophenyl)azo-anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-acetyloxyethyl)-3-benzamido-4-(4-nitrophenyl)azoanilino]ethyl ester IUPAC Name: 2-[N-(2-acetyloxyethyl)-3-benzamido-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-acetoxyethyl)-3-benzamido-4-(4-nitrophenyl)azo-anilino]ethyl ester Formula: C27H27N5O7 MolecularWeight: 533.53258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(CCOC(=O)C)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OCCN(CCOC(=O)C)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H27N5O7/c1-19(33)38-16-14-31(15-17-39-20(2)34)24-12-13-25(30-29-22-8-10-23(11-9-22)32(36)37)26(18-24)28-27(35)21-6-4-3-5-7-21/h3-13,18H,14-17H2,1-2H3,(H,28,35)