[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CN3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=CN3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5/c20-15(13-2-1-7-17-13)9-24-16(21)10-3-6-12(18-11-4-5-11)14(8-10)19(22)23/h1-3,6-8,11,17-18H,4-5,9H2