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

Systemtic Name: methyl 2-[4-[2-[(4,6-dimethyl-3-nitro-pyridin-2-yl)carbamoyl]pentyl]phenyl]benzoate Openeye Name: methyl 2-[4-[2-[(4,6-dimethyl-3-nitro-2-pyridyl)carbamoyl]pentyl]phenyl]benzoate CAS Name: 2-[4-[2-[[(4,6-dimethyl-3-nitro-2-pyridinyl)amino]-oxomethyl]pentyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[2-[(4,6-dimethyl-3-nitropyridin-2-yl)carbamoyl]pentyl]phenyl]benzoate Traditional Name: 2-[4-[2-[(4,6-dimethyl-3-nitro-2-pyridyl)carbamoyl]pentyl]phenyl]benzoic acid methyl ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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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=C(C(=CC(=N3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(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/C27H29N3O5/c1-5-8-21(26(31)29-25-24(30(33)34)17(2)15-18(3)28-25)16-19-11-13-20(14-12-19)22-9-6-7-10-23(22)27(32)35-4/h6-7,9-15,21H,5,8,16H2,1-4H3,(H,28,29,31)