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

Systemtic Name: [1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 2-azanyl-4-nitro-benzoate Openeye Name: [1-methyl-2-(1-naphthylamino)-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [1-(1-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-keto-1-methyl-2-(1-naphthylamino)ethyl] ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C20H17N3O5/c1-12(28-20(25)16-10-9-14(23(26)27)11-17(16)21)19(24)22-18-8-4-6-13-5-2-3-7-15(13)18/h2-12H,21H2,1H3,(H,22,24)