2-[[4-[[2,6-bis(chloranyl)-4-nitro-phenyl]diazenyl]-3-methyl-phenyl]-[2-(phenylcarbonyloxy)ethyl]amino]ethyl benzoate

Systemtic Name: 2-[[4-[[2,6-bis(chloranyl)-4-nitro-phenyl]diazenyl]-3-methyl-phenyl]-[2-(phenylcarbonyloxy)ethyl]amino]ethyl benzoate Openeye Name: 2-[N-(2-benzoyloxyethyl)-4-(2,6-dichloro-4-nitro-phenyl)azo-3-methyl-anilino]ethyl benzoate CAS Name: benzoic acid 2-[N-(2-benzoyloxyethyl)-4-(2,6-dichloro-4-nitrophenyl)azo-3-methylanilino]ethyl ester IUPAC Name: 2-[N-(2-benzoyloxyethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-3-methylanilino]ethyl benzoate Traditional Name: benzoic acid 2-[N-(2-benzoyloxyethyl)-4-(2,6-dichloro-4-nitro-phenyl)azo-3-methyl-anilino]ethyl ester Formula: C31H26Cl2N4O6 MolecularWeight: 621.46734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3)N=NC4=C(C=C(C=C4Cl)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3)N=NC4=C(C=C(C=C4Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C31H26Cl2N4O6/c1-21-18-24(12-13-28(21)34-35-29-26(32)19-25(37(40)41)20-27(29)33)36(14-16-42-30(38)22-8-4-2-5-9-22)15-17-43-31(39)23-10-6-3-7-11-23/h2-13,18-20H,14-17H2,1H3