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

Systemtic Name: methyl 2-[4-[2-[(4-methyl-3-nitro-pyridin-2-yl)carbamoyl]butyl]phenyl]benzoate Openeye Name: methyl 2-[4-[2-[(4-methyl-3-nitro-2-pyridyl)carbamoyl]butyl]phenyl]benzoate CAS Name: 2-[4-[2-[[(4-methyl-3-nitro-2-pyridinyl)amino]-oxomethyl]butyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[2-[(4-methyl-3-nitropyridin-2-yl)carbamoyl]butyl]phenyl]benzoate Traditional Name: 2-[4-[2-[(4-methyl-3-nitro-2-pyridyl)carbamoyl]butyl]phenyl]benzoic acid methyl ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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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=NC=CC(=C3[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O5/c1-4-18(24(29)27-23-22(28(31)32)16(2)13-14-26-23)15-17-9-11-19(12-10-17)20-7-5-6-8-21(20)25(30)33-3/h5-14,18H,4,15H2,1-3H3,(H,26,27,29)