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

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-azanyl-4-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5/c1-12(17(22)20-10-9-13-5-3-2-4-6-13)26-18(23)15-8-7-14(21(24)25)11-16(15)19/h2-8,11-12H,9-10,19H2,1H3,(H,20,22)