4-(methylamino)-2-[(4-nitrophenyl)methoxycarbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(methylamino)-2-[(4-nitrophenyl)methoxycarbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(methylamino)-2-[(4-nitrophenyl)methoxycarbonylamino]-4-oxo-butanoic acid CAS Name: 4-(methylamino)-2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-(methylamino)-2-[(4-nitrophenyl)methoxycarbonylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-(methylamino)-2-[(4-nitrobenzyl)oxycarbonylamino]butyric acid Formula: C13H15N3O7 MolecularWeight: 325.2741

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC(C(=O)O)NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)CC(C(=O)O)NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O7/c1-14-11(17)6-10(12(18)19)15-13(20)23-7-8-2-4-9(5-3-8)16(21)22/h2-5,10H,6-7H2,1H3,(H,14,17)(H,15,20)(H,18,19)