[2,4-bis(azanyl)pyridin-3-yl]-[4-(2-methylpropoxy)-3-nitro-phenyl]methanone

Systemtic Name: [2,4-bis(azanyl)pyridin-3-yl]-[4-(2-methylpropoxy)-3-nitro-phenyl]methanone Openeye Name: (2,4-diamino-3-pyridyl)-(4-isobutoxy-3-nitro-phenyl)methanone CAS Name: (2,4-diamino-3-pyridinyl)-[4-(2-methylpropoxy)-3-nitrophenyl]methanone IUPAC Name: (2,4-diaminopyridin-3-yl)-[4-(2-methylpropoxy)-3-nitrophenyl]methanone Traditional Name: (2,4-diamino-3-pyridyl)-(4-isobutoxy-3-nitro-phenyl)methanone Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)C2=C(C=CN=C2N)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)C2=C(C=CN=C2N)N)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4/c1-9(2)8-24-13-4-3-10(7-12(13)20(22)23)15(21)14-11(17)5-6-19-16(14)18/h3-7,9H,8H2,1-2H3,(H4,17,18,19)