[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(benzotriazol-1-yl)ethanoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(benzotriazol-1-yl)ethanoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2-(benzotriazol-1-yl)acetate CAS Name: 2-(1-benzotriazolyl)acetic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2-(benzotriazol-1-yl)acetate Traditional Name: 2-(benzotriazol-1-yl)acetic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C23H19N5O5 MolecularWeight: 445.42746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CN3C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CN3C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O5/c1-15-11-12-17(20(13-15)28(31)32)24-23(30)22(16-7-3-2-4-8-16)33-21(29)14-27-19-10-6-5-9-18(19)25-26-27/h2-13,22H,14H2,1H3,(H,24,30)