methyl 2-[4-[2-[(4-methyl-3-nitro-pyridin-2-yl)carbamoyl]pentyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[2-[(4-methyl-3-nitro-pyridin-2-yl)carbamoyl]pentyl]phenyl]benzoate Openeye Name: methyl 2-[4-[2-[(4-methyl-3-nitro-2-pyridyl)carbamoyl]pentyl]phenyl]benzoate CAS Name: 2-[4-[2-[[(4-methyl-3-nitro-2-pyridinyl)amino]-oxomethyl]pentyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[2-[(4-methyl-3-nitropyridin-2-yl)carbamoyl]pentyl]phenyl]benzoate Traditional Name: 2-[4-[2-[(4-methyl-3-nitro-2-pyridyl)carbamoyl]pentyl]phenyl]benzoic acid methyl ester Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC)C(=O)NC3=NC=CC(=C3[N+](=O)[O-])C

Isomeric SMILES

CCCC(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC)C(=O)NC3=NC=CC(=C3[N+](=O)[O-])C

InChI

InChI=1S/C26H27N3O5/c1-4-7-20(25(30)28-24-23(29(32)33)17(2)14-15-27-24)16-18-10-12-19(13-11-18)21-8-5-6-9-22(21)26(31)34-3/h5-6,8-15,20H,4,7,16H2,1-3H3,(H,27,28,30)