[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c25-20(23-16-9-10-16)19(13-4-2-1-3-5-13)29-21(26)14-6-11-17(22-15-7-8-15)18(12-14)24(27)28/h1-6,11-12,15-16,19,22H,7-10H2,(H,23,25)