N-[(4-acetamidophenyl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[(4-acetamidophenyl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[(4-acetamidophenyl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-(4-acetamidobenzyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C18H17N3O6/c1-11(22)20-13-4-2-12(3-5-13)10-19-18(23)14-8-16-17(27-7-6-26-16)9-15(14)21(24)25/h2-5,8-9H,6-7,10H2,1H3,(H,19,23)(H,20,22)