4-azanyl-2-[2-(4-nitrophenyl)sulfonylethoxycarbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-(4-nitrophenyl)sulfonylethoxycarbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[2-(4-nitrophenyl)sulfonylethoxycarbonylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-(4-nitrophenyl)sulfonylethoxy-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[2-(4-nitrophenyl)sulfonylethoxycarbonylamino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-(2-nosylethoxycarbonylamino)butyric acid Formula: C13H15N3O9S MolecularWeight: 389.3379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)CCOC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)CCOC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C13H15N3O9S/c14-11(17)7-10(12(18)19)15-13(20)25-5-6-26(23,24)9-3-1-8(2-4-9)16(21)22/h1-4,10H,5-7H2,(H2,14,17)(H,15,20)(H,18,19)