3-[(3-nitropyridin-2-yl)amino]propyl benzoate

Systemtic Name: 3-[(3-nitropyridin-2-yl)amino]propyl benzoate Openeye Name: 3-[(3-nitro-2-pyridyl)amino]propyl benzoate CAS Name: benzoic acid 3-[(3-nitro-2-pyridinyl)amino]propyl ester IUPAC Name: 3-[(3-nitropyridin-2-yl)amino]propyl benzoate Traditional Name: benzoic acid 3-[(3-nitro-2-pyridyl)amino]propyl ester Formula: C15H15N3O4 MolecularWeight: 301.2973

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCNC2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCNC2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O4/c19-15(12-6-2-1-3-7-12)22-11-5-10-17-14-13(18(20)21)8-4-9-16-14/h1-4,6-9H,5,10-11H2,(H,16,17)