dimethyl (E)-4-(5-azanyl-3-methyl-1-phenyl-pyrazol-4-yl)iminopent-2-enedioate

Systemtic Name: dimethyl (E)-4-(5-azanyl-3-methyl-1-phenyl-pyrazol-4-yl)iminopent-2-enedioate Openeye Name: dimethyl (E)-4-(5-amino-3-methyl-1-phenyl-pyrazol-4-yl)iminopent-2-enedioate CAS Name: (E)-4-[(5-amino-3-methyl-1-phenyl-4-pyrazolyl)imino]-2-pentenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)iminopent-2-enedioate Traditional Name: (E)-4-(5-amino-3-methyl-1-phenyl-pyrazol-4-yl)iminopent-2-enedioic acid dimethyl ester Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=C(C=CC(=O)OC)C(=O)OC)N)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1N=C(/C=C/C(=O)OC)C(=O)OC)N)C2=CC=CC=C2

InChI

InChI=1S/C17H18N4O4/c1-11-15(16(18)21(20-11)12-7-5-4-6-8-12)19-13(17(23)25-3)9-10-14(22)24-2/h4-10H,18H2,1-3H3/b10-9+,19-13?