[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-13(18(23)21-11-10-14-6-4-3-5-7-14)27-19(24)15-8-9-16(20-2)17(12-15)22(25)26/h3-9,12-13,20H,10-11H2,1-2H3,(H,21,23)