methyl 1-[butoxycarbonyl-[(5-nitro-2-phenylmethoxy-phenyl)methyl]amino]-2H-pyridine-3-carboxylate

Systemtic Name: methyl 1-[butoxycarbonyl-[(5-nitro-2-phenylmethoxy-phenyl)methyl]amino]-2H-pyridine-3-carboxylate Openeye Name: methyl 1-[(2-benzyloxy-5-nitro-phenyl)methyl-butoxycarbonyl-amino]-2H-pyridine-3-carboxylate CAS Name: 1-[[butoxy(oxo)methyl]-[(5-nitro-2-phenylmethoxyphenyl)methyl]amino]-2H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[butoxycarbonyl-[(5-nitro-2-phenylmethoxyphenyl)methyl]amino]-2H-pyridine-3-carboxylate Traditional Name: 1-[(2-benzoxy-5-nitro-benzyl)-butoxycarbonyl-amino]-2H-pyridine-3-carboxylic acid methyl ester Formula: C26H29N3O7 MolecularWeight: 495.52436

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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)N3CC(=CC=C3)C(=O)OC

Isomeric SMILES

CCCCOC(=O)N(CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2)N3CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C26H29N3O7/c1-3-4-15-35-26(31)28(27-14-8-11-21(17-27)25(30)34-2)18-22-16-23(29(32)33)12-13-24(22)36-19-20-9-6-5-7-10-20/h5-14,16H,3-4,15,17-19H2,1-2H3