[ethyl-[3-methyl-4-[(4-nitrophenyl)diazenyl]phenyl]amino]methyl 2-methyl-4-phenyl-hexanoate

Systemtic Name: [ethyl-[3-methyl-4-[(4-nitrophenyl)diazenyl]phenyl]amino]methyl 2-methyl-4-phenyl-hexanoate Openeye Name: [N-ethyl-3-methyl-4-(4-nitrophenyl)azo-anilino]methyl 2-methyl-4-phenyl-hexanoate CAS Name: 2-methyl-4-phenylhexanoic acid [N-ethyl-3-methyl-4-(4-nitrophenyl)azoanilino]methyl ester IUPAC Name: [N-ethyl-3-methyl-4-[(4-nitrophenyl)diazenyl]anilino]methyl 2-methyl-4-phenylhexanoate Traditional Name: 2-methyl-4-phenyl-hexanoic acid [N-ethyl-3-methyl-4-(4-nitrophenyl)azo-anilino]methyl ester Formula: C29H34N4O4 MolecularWeight: 502.60466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)OCN(CC)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])C)C3=CC=CC=C3

Isomeric SMILES

CCC(CC(C)C(=O)OCN(CC)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])C)C3=CC=CC=C3

InChI

InChI=1S/C29H34N4O4/c1-5-23(24-10-8-7-9-11-24)18-22(4)29(34)37-20-32(6-2)27-16-17-28(21(3)19-27)31-30-25-12-14-26(15-13-25)33(35)36/h7-17,19,22-23H,5-6,18,20H2,1-4H3