4-azanyl-2-[(4-chloranyl-1-cyclopropyl-pyrrol-2-yl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(4-chloranyl-1-cyclopropyl-pyrrol-2-yl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(4-chloro-1-cyclopropyl-pyrrole-2-carbonyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(4-chloro-1-cyclopropyl-2-pyrrolyl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(4-chloro-1-cyclopropyl-pyrrole-2-carbonyl)amino]-4-keto-butyric acid Formula: C12H14ClN3O4 MolecularWeight: 299.71026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C=C2C(=O)NC(CC(=O)N)C(=O)O)Cl

Isomeric SMILES

C1CC1N2C=C(C=C2C(=O)NC(CC(=O)N)C(=O)O)Cl

InChI

InChI=1S/C12H14ClN3O4/c13-6-3-9(16(5-6)7-1-2-7)11(18)15-8(12(19)20)4-10(14)17/h3,5,7-8H,1-2,4H2,(H2,14,17)(H,15,18)(H,19,20)