methyl 6-[butoxycarbonyl-[(5-nitro-2-phenylmethoxy-phenyl)methyl]amino]pyridine-3-carboxylate

Systemtic Name: methyl 6-[butoxycarbonyl-[(5-nitro-2-phenylmethoxy-phenyl)methyl]amino]pyridine-3-carboxylate Openeye Name: methyl 6-[(2-benzyloxy-5-nitro-phenyl)methyl-butoxycarbonyl-amino]pyridine-3-carboxylate CAS Name: 6-[[butoxy(oxo)methyl]-[(5-nitro-2-phenylmethoxyphenyl)methyl]amino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[butoxycarbonyl-[(5-nitro-2-phenylmethoxyphenyl)methyl]amino]pyridine-3-carboxylate Traditional Name: 6-[(2-benzoxy-5-nitro-benzyl)-butoxycarbonyl-amino]nicotinic acid methyl ester Formula: C26H27N3O7 MolecularWeight: 493.50848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N(CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCOC(=O)N(CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C26H27N3O7/c1-3-4-14-35-26(31)28(24-13-10-20(16-27-24)25(30)34-2)17-21-15-22(29(32)33)11-12-23(21)36-18-19-8-6-5-7-9-19/h5-13,15-16H,3-4,14,17-18H2,1-2H3