4-[2,5-dimethyl-3-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]pyrrol-1-yl]benzoate

Systemtic Name: 4-[2,5-dimethyl-3-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]pyrrol-1-yl]benzoate Openeye Name: 4-[2,5-dimethyl-3-[(E)-[(5-nitro-2-pyridyl)hydrazono]methyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]-1-pyrrolyl]benzoate IUPAC Name: 4-[2,5-dimethyl-3-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[(E)-[(5-nitro-2-pyridyl)hydrazono]methyl]pyrrol-1-yl]benzoate Formula: C19H16N5O4- MolecularWeight: 378.36144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)[O-])C)C=NNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)[O-])C)/C=N/NC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O4/c1-12-9-15(10-21-22-18-8-7-17(11-20-18)24(27)28)13(2)23(12)16-5-3-14(4-6-16)19(25)26/h3-11H,1-2H3,(H,20,22)(H,25,26)/p-1/b21-10+