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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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