1-methyl-2-[(3-methyl-4-nitro-phenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

Systemtic Name: 1-methyl-2-[(3-methyl-4-nitro-phenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate Openeye Name: 1-methyl-2-[(3-methyl-4-nitro-phenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate CAS Name: 1-methyl-2-[(3-methyl-4-nitrophenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate IUPAC Name: 1-methyl-2-[(3-methyl-4-nitrophenyl)methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate Traditional Name: 1-methyl-2-(3-methyl-4-nitro-benzyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate Formula: C16H17N4O4- MolecularWeight: 329.33058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=NC3=C(N2C)CC(NC3)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=NC3=C(N2C)CC(NC3)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4/c1-9-5-10(3-4-13(9)20(23)24)6-15-18-12-8-17-11(16(21)22)7-14(12)19(15)2/h3-5,11,17H,6-8H2,1-2H3,(H,21,22)/p-1