N-(3-butoxypropyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(3-butoxypropyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(3-butoxypropyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(3-butoxypropyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(3-butoxypropyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(3-butoxypropyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-]

Isomeric SMILES

CCCCOCCCNC(=O)C1=CC(=C(C=C1)N2C=NC=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O4/c1-2-3-8-25-9-4-7-18-16(22)13-5-6-14(15(10-13)21(23)24)20-12-17-11-19-20/h5-6,10-12H,2-4,7-9H2,1H3,(H,18,22)