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

Systemtic Name: 4-[(1-methoxy-1-oxidanylidene-hexan-2-yl)amino]-3-[(4-nitrophenyl)carbamoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(1-methoxycarbonylpentylamino)-3-[(4-nitrophenyl)carbamoylamino]-4-oxo-butanoic acid CAS Name: 4-[(1-methoxy-1-oxohexan-2-yl)amino]-3-[[(4-nitroanilino)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(1-methoxy-1-oxohexan-2-yl)amino]-3-[(4-nitrophenyl)carbamoylamino]-4-oxobutanoic acid Traditional Name: 4-(1-carbomethoxypentylamino)-4-keto-3-[(4-nitrophenyl)carbamoylamino]butyric acid Formula: C18H24N4O8 MolecularWeight: 424.40516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O8/c1-3-4-5-13(17(26)30-2)20-16(25)14(10-15(23)24)21-18(27)19-11-6-8-12(9-7-11)22(28)29/h6-9,13-14H,3-5,10H2,1-2H3,(H,20,25)(H,23,24)(H2,19,21,27)