[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenethylbenzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenethylbenzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3

InChI

InChI=1S/C24H22N2O5/c1-17(23(27)25-20-11-7-12-21(16-20)26(29)30)31-24(28)22-13-6-5-10-19(22)15-14-18-8-3-2-4-9-18/h2-13,16-17H,14-15H2,1H3,(H,25,27)