methyl 2-[4-[2-[(4,6-dimethyl-3-nitro-pyridin-2-yl)carbamoyl]butyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[2-[(4,6-dimethyl-3-nitro-pyridin-2-yl)carbamoyl]butyl]phenyl]benzoate Openeye Name: methyl 2-[4-[2-[(4,6-dimethyl-3-nitro-2-pyridyl)carbamoyl]butyl]phenyl]benzoate CAS Name: 2-[4-[2-[[(4,6-dimethyl-3-nitro-2-pyridinyl)amino]-oxomethyl]butyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[2-[(4,6-dimethyl-3-nitropyridin-2-yl)carbamoyl]butyl]phenyl]benzoate Traditional Name: 2-[4-[2-[(4,6-dimethyl-3-nitro-2-pyridyl)carbamoyl]butyl]phenyl]benzoic acid methyl ester Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC)C(=O)NC3=C(C(=CC(=N3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC)C(=O)NC3=C(C(=CC(=N3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O5/c1-5-19(25(30)28-24-23(29(32)33)16(2)14-17(3)27-24)15-18-10-12-20(13-11-18)21-8-6-7-9-22(21)26(31)34-4/h6-14,19H,5,15H2,1-4H3,(H,27,28,30)