[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazono]methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(Z)-[(4,6-dimethyl-2-pyrimidinyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazono]methyl]phenyl] ester Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NN=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)N/N=C\C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H17N5O4/c1-13-10-14(2)23-20(22-13)24-21-12-15-6-8-18(9-7-15)29-19(26)16-4-3-5-17(11-16)25(27)28/h3-12H,1-2H3,(H,22,23,24)/b21-12-