2-[[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]-5-nitro-phenyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]-5-nitro-phenyl]amino]ethanoic acid Openeye Name: 2-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]-5-nitro-anilino]acetic acid CAS Name: 2-[2-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]-5-nitroanilino]acetic acid IUPAC Name: 2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-5-nitroanilino]acetic acid Traditional Name: 2-[2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]-5-nitro-anilino]acetic acid Formula: C20H19N5O6 MolecularWeight: 425.39476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])NCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])NCC(=O)O

InChI

InChI=1S/C20H19N5O6/c1-12-18(20(29)24(23(12)2)13-6-4-3-5-7-13)22-19(28)15-9-8-14(25(30)31)10-16(15)21-11-17(26)27/h3-10,21H,11H2,1-2H3,(H,22,28)(H,26,27)