[1-oxidanylidene-1-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] 3-azanylbenzoate

Systemtic Name: [1-oxidanylidene-1-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] 3-azanylbenzoate Openeye Name: 1-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)carbamoyl]propyl 3-aminobenzoate CAS Name: 3-aminobenzoic acid [1-oxo-1-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] ester IUPAC Name: [1-oxo-1-[(3-oxo-2-phenyl-1H-pyrazol-5-yl)amino]butan-2-yl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid 1-[(5-keto-1-phenyl-3-pyrazolin-3-yl)carbamoyl]propyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)N

InChI

InChI=1S/C20H20N4O4/c1-2-16(28-20(27)13-7-6-8-14(21)11-13)19(26)22-17-12-18(25)24(23-17)15-9-4-3-5-10-15/h3-12,16,23H,2,21H2,1H3,(H,22,26)