5-(cyclopentylcarbamoyl)-1-heptyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3-carboxylate

Systemtic Name: 5-(cyclopentylcarbamoyl)-1-heptyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3-carboxylate Openeye Name: 5-(cyclopentylcarbamoyl)-1-heptyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3-carboxylate CAS Name: 5-[(cyclopentylamino)-oxomethyl]-1-heptyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3-carboxylate IUPAC Name: 5-(cyclopentylcarbamoyl)-1-heptyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3-carboxylate Traditional Name: 5-(cyclopentylcarbamoyl)-1-heptyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3-carboxylate Formula: C27H36N3O5- MolecularWeight: 482.59184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=C(C(C(=C1C)C(=O)[O-])C2=CC=CC=C2[N+](=O)[O-])C(=O)NC3CCCC3)C

Isomeric SMILES

CCCCCCCN1C(=C(C(C(=C1C)C(=O)[O-])C2=CC=CC=C2[N+](=O)[O-])C(=O)NC3CCCC3)C

InChI

InChI=1S/C27H37N3O5/c1-4-5-6-7-12-17-29-18(2)23(26(31)28-20-13-8-9-14-20)25(24(19(29)3)27(32)33)21-15-10-11-16-22(21)30(34)35/h10-11,15-16,20,25H,4-9,12-14,17H2,1-3H3,(H,28,31)(H,32,33)/p-1