[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-(N-methylanilino)-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-(N-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-methylanilino)-2-oxoethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-keto-2-(N-methylanilino)ethyl] ester Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C16H15N3O5/c1-18(11-5-3-2-4-6-11)15(20)10-24-16(21)13-8-7-12(19(22)23)9-14(13)17/h2-9H,10,17H2,1H3