[2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 3-nitrobenzoate Openeye Name: [2-(4-anilino-N-isopropyl-anilino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(4-anilino-N-isopropyl-anilino)-2-keto-ethyl] ester Formula: C24H23N3O5 MolecularWeight: 433.45652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O5/c1-17(2)26(21-13-11-20(12-14-21)25-19-8-4-3-5-9-19)23(28)16-32-24(29)18-7-6-10-22(15-18)27(30)31/h3-15,17,25H,16H2,1-2H3