N-[(6-methoxynaphthalen-2-yl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[(6-methoxynaphthalen-2-yl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[(6-methoxy-2-naphthyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[(6-methoxy-2-naphthalenyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[(6-methoxynaphthalen-2-yl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[(6-methoxy-2-naphthyl)methyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)CNC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)CNC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O4/c1-30-18-6-4-15-8-14(2-3-16(15)9-18)11-23-21(27)17-5-7-19(20(10-17)26(28)29)25-13-22-12-24-25/h2-10,12-13H,11H2,1H3,(H,23,27)