[2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(4-anilino-N-isopropyl-anilino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(4-anilino-N-isopropyl-anilino)-2-keto-ethyl] ester Formula: C26H27N3O7 MolecularWeight: 493.50848

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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(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O7/c1-17(2)28(20-12-10-19(11-13-20)27-18-8-6-5-7-9-18)25(30)16-36-26(31)21-14-23(34-3)24(35-4)15-22(21)29(32)33/h5-15,17,27H,16H2,1-4H3