4-azanyl-2-[[1-(3,5-dinitrophenyl)carbonylpyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[1-(3,5-dinitrophenyl)carbonylpyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[1-(3,5-dinitrobenzoyl)pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[1-[(3,5-dinitrophenyl)-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[1-(3,5-dinitrobenzoyl)pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[1-(3,5-dinitrobenzoyl)prolyl]amino]-4-keto-butyric acid Formula: C16H17N5O9 MolecularWeight: 423.33428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C16H17N5O9/c17-13(22)7-11(16(25)26)18-14(23)12-2-1-3-19(12)15(24)8-4-9(20(27)28)6-10(5-8)21(29)30/h4-6,11-12H,1-3,7H2,(H2,17,22)(H,18,23)(H,25,26)