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

Systemtic Name: 2-[[5-chloranyl-4-[(4-dimethylaminophenyl)-phenyl-methyl]-2-nitro-phenyl]-methyl-amino]ethyl ethanoate Openeye Name: 2-[5-chloro-4-[(4-dimethylaminophenyl)-phenyl-methyl]-N-methyl-2-nitro-anilino]ethyl acetate CAS Name: acetic 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 acetate Traditional Name: acetic acid 2-[5-chloro-4-[(4-dimethylaminophenyl)-phenyl-methyl]-N-methyl-2-nitro-anilino]ethyl ester Formula: C26H28ClN3O4 MolecularWeight: 481.97122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(C)C1=C(C=C(C(=C1)Cl)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCN(C)C1=C(C=C(C(=C1)Cl)C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H28ClN3O4/c1-18(31)34-15-14-29(4)24-17-23(27)22(16-25(24)30(32)33)26(19-8-6-5-7-9-19)20-10-12-21(13-11-20)28(2)3/h5-13,16-17,26H,14-15H2,1-4H3