[4-[[[2-(cyclopropylamino)-2-oxidanylidene-ethanoyl]amino]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[[2-(cyclopropylamino)-2-oxidanylidene-ethanoyl]amino]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[[2-(cyclopropylamino)-2-oxo-acetyl]amino]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[[2-(cyclopropylamino)-1,2-dioxoethyl]hydrazo]-oxomethyl]phenyl] ester IUPAC Name: [4-[[[2-(cyclopropylamino)-2-oxoacetyl]amino]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[[2-(cyclopropylamino)-2-keto-acetyl]amino]carbamoyl]phenyl] ester Formula: C18H16N4O8S MolecularWeight: 448.40664

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(=O)NNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)C(=O)NNC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O8S/c23-16(20-21-18(25)17(24)19-12-6-7-12)11-4-8-14(9-5-11)30-31(28,29)15-3-1-2-13(10-15)22(26)27/h1-5,8-10,12H,6-7H2,(H,19,24)(H,20,23)(H,21,25)