[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-2-6-18(15-7-4-3-5-8-15)24-21(26)14-30-22(27)16-9-12-19(23-17-10-11-17)20(13-16)25(28)29/h3-5,7-9,12-13,17-18,23H,2,6,10-11,14H2,1H3,(H,24,26)/t18-/m1/s1