butyl 4-[(5-nitropyridin-2-yl)amino]benzoate

Systemtic Name: butyl 4-[(5-nitropyridin-2-yl)amino]benzoate Openeye Name: butyl 4-[(5-nitro-2-pyridyl)amino]benzoate CAS Name: 4-[(5-nitro-2-pyridinyl)amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(5-nitropyridin-2-yl)amino]benzoate Traditional Name: 4-[(5-nitro-2-pyridyl)amino]benzoic acid butyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O4/c1-2-3-10-23-16(20)12-4-6-13(7-5-12)18-15-9-8-14(11-17-15)19(21)22/h4-9,11H,2-3,10H2,1H3,(H,17,18)