2-[(4-aminophenyl)carbonylamino]ethanoic acid; 1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 2-[(4-aminophenyl)carbonylamino]ethanoic acid; 1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 2-[(4-aminobenzoyl)amino]acetic acid; 1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 2-[[(4-aminophenyl)-oxomethyl]amino]acetic acid; 1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 2-[(4-aminobenzoyl)amino]acetic acid; 1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 2-[(4-aminobenzoyl)amino]acetic acid; antipyrine Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C)C2=CC=CC=C2.C1=CC(=CC=C1C(=O)NCC(=O)O)N

Isomeric SMILES

CC1=CC(=O)N(N1C)C2=CC=CC=C2.C1=CC(=CC=C1C(=O)NCC(=O)O)N

InChI

InChI=1S/C11H12N2O.C9H10N2O3/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h3-8H,1-2H3;1-4H,5,10H2,(H,11,14)(H,12,13)