[1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-(benzhydrylamino)-1-methyl-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [1-[(diphenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-(benzhydrylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H25N3O6 MolecularWeight: 463.4825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

Isomeric SMILES

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

InChI

InChI=1S/C25H25N3O6/c1-17(34-25(31)21-16-20(28(32)33)12-13-22(21)26-14-15-29)24(30)27-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16-17,23,26,29H,14-15H2,1H3,(H,27,30)