2-[[5-chloranyl-4-[(4-dimethylaminophenyl)-phenyl-methyl]-2-nitro-phenyl]-methyl-amino]ethyl benzoate

Systemtic Name: 2-[[5-chloranyl-4-[(4-dimethylaminophenyl)-phenyl-methyl]-2-nitro-phenyl]-methyl-amino]ethyl benzoate Openeye Name: 2-[5-chloro-4-[(4-dimethylaminophenyl)-phenyl-methyl]-N-methyl-2-nitro-anilino]ethyl benzoate CAS Name: benzoic acid 2-[5-chloro-4-[(4-dimethylaminophenyl)-phenylmethyl]-N-methyl-2-nitroanilino]ethyl ester IUPAC Name: 2-[5-chloro-4-[(4-dimethylaminophenyl)-phenylmethyl]-N-methyl-2-nitroanilino]ethyl benzoate Traditional Name: benzoic acid 2-[5-chloro-4-[(4-dimethylaminophenyl)-phenyl-methyl]-N-methyl-2-nitro-anilino]ethyl ester Formula: C31H30ClN3O4 MolecularWeight: 544.0406

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC(=C(C=C3Cl)N(C)CCOC(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC(=C(C=C3Cl)N(C)CCOC(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C31H30ClN3O4/c1-33(2)25-16-14-23(15-17-25)30(22-10-6-4-7-11-22)26-20-29(35(37)38)28(21-27(26)32)34(3)18-19-39-31(36)24-12-8-5-9-13-24/h4-17,20-21,30H,18-19H2,1-3H3