[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenyl)ethanoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-nitrophenyl)ethanoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(2-nitrophenyl)acetate CAS Name: 2-(2-nitrophenyl)acetic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2-nitrophenyl)acetate Traditional Name: 2-(2-nitrophenyl)acetic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-12(18(23)20-15-8-4-2-7-14(15)11-19)26-17(22)10-13-6-3-5-9-16(13)21(24)25/h2-9,12H,10H2,1H3,(H,20,23)