(2R)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-(2-piperazin-1-ylethylamino)butanoic acid

Systemtic Name: (2R)-4-[(3-nitrophenyl)amino]-4-oxidanylidene-2-(2-piperazin-1-ylethylamino)butanoic acid Openeye Name: (2R)-4-(3-nitroanilino)-4-oxo-2-(2-piperazin-1-ylethylamino)butanoic acid CAS Name: (2R)-4-(3-nitroanilino)-4-oxo-2-[2-(1-piperazinyl)ethylamino]butanoic acid IUPAC Name: (2R)-4-(3-nitroanilino)-4-oxo-2-(2-piperazin-1-ylethylamino)butanoic acid Traditional Name: (2R)-4-keto-4-(3-nitroanilino)-2-(2-piperazinoethylamino)butyric acid Formula: C16H23N5O5 MolecularWeight: 365.38432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCNC(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN(CCN1)CCN[C@H](CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H23N5O5/c22-15(19-12-2-1-3-13(10-12)21(25)26)11-14(16(23)24)18-6-9-20-7-4-17-5-8-20/h1-3,10,14,17-18H,4-9,11H2,(H,19,22)(H,23,24)/t14-/m1/s1