[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-(N-allylanilino)-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-oxo-2-(N-prop-2-enylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-prop-2-enylanilino)ethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-(N-allylanilino)-2-keto-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

C=CCN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-2-12-23(17-6-4-3-5-7-17)20(25)14-29-21(26)15-8-11-18(22-16-9-10-16)19(13-15)24(27)28/h2-8,11,13,16,22H,1,9-10,12,14H2