N-[2,4-bis(azanyl)pyridin-3-yl]-4-(2-methylpropoxy)-3-nitro-benzamide

Systemtic Name: N-[2,4-bis(azanyl)pyridin-3-yl]-4-(2-methylpropoxy)-3-nitro-benzamide Openeye Name: N-(2,4-diamino-3-pyridyl)-4-isobutoxy-3-nitro-benzamide CAS Name: N-(2,4-diamino-3-pyridinyl)-4-(2-methylpropoxy)-3-nitrobenzamide IUPAC Name: N-(2,4-diaminopyridin-3-yl)-4-(2-methylpropoxy)-3-nitrobenzamide Traditional Name: N-(2,4-diamino-3-pyridyl)-4-isobutoxy-3-nitro-benzamide Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC2=C(C=CN=C2N)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC2=C(C=CN=C2N)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4/c1-9(2)8-25-13-4-3-10(7-12(13)21(23)24)16(22)20-14-11(17)5-6-19-15(14)18/h3-7,9H,8H2,1-2H3,(H,20,22)(H4,17,18,19)