4-[(1-methoxy-1-oxidanylidene-pentan-2-yl)amino]-3-[(4-nitrophenyl)carbamoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(1-methoxy-1-oxidanylidene-pentan-2-yl)amino]-3-[(4-nitrophenyl)carbamoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(1-methoxycarbonylbutylamino)-3-[(4-nitrophenyl)carbamoylamino]-4-oxo-butanoic acid CAS Name: 4-[(1-methoxy-1-oxopentan-2-yl)amino]-3-[[(4-nitroanilino)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(1-methoxy-1-oxopentan-2-yl)amino]-3-[(4-nitrophenyl)carbamoylamino]-4-oxobutanoic acid Traditional Name: 4-(1-carbomethoxybutylamino)-4-keto-3-[(4-nitrophenyl)carbamoylamino]butyric acid Formula: C17H22N4O8 MolecularWeight: 410.37858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OC)NC(=O)C(CC(=O)O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCC(C(=O)OC)NC(=O)C(CC(=O)O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O8/c1-3-4-12(16(25)29-2)19-15(24)13(9-14(22)23)20-17(26)18-10-5-7-11(8-6-10)21(27)28/h5-8,12-13H,3-4,9H2,1-2H3,(H,19,24)(H,22,23)(H2,18,20,26)