[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-(N-allylanilino)-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-oxo-2-(N-prop-2-enylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-(N-allylanilino)-2-keto-ethyl] ester Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5/c1-2-10-20(13-6-4-3-5-7-13)17(22)12-26-18(23)15-11-14(21(24)25)8-9-16(15)19/h2-9,11H,1,10,12,19H2