4-[(4-nitrophenyl)amino]-3-[(4-nitrophenyl)carbamoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-nitrophenyl)amino]-3-[(4-nitrophenyl)carbamoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-nitroanilino)-3-[(4-nitrophenyl)carbamoylamino]-4-oxo-butanoic acid CAS Name: 4-(4-nitroanilino)-3-[[(4-nitroanilino)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-(4-nitroanilino)-3-[(4-nitrophenyl)carbamoylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-(4-nitroanilino)-3-[(4-nitrophenyl)carbamoylamino]butyric acid Formula: C17H15N5O8 MolecularWeight: 417.3297

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(CC(=O)O)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C(CC(=O)O)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O8/c23-15(24)9-14(16(25)18-10-1-5-12(6-2-10)21(27)28)20-17(26)19-11-3-7-13(8-4-11)22(29)30/h1-8,14H,9H2,(H,18,25)(H,23,24)(H2,19,20,26)