N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-nitro-benzamide

Systemtic Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-nitro-benzamide Openeye Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-nitro-benzamide CAS Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-nitrobenzamide IUPAC Name: N-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-nitrobenzamide Traditional Name: N-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-nitro-benzamide Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N\NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])/CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17N3O5/c1-12(5-6-13-7-8-16-17(9-13)26-11-25-16)19-20-18(22)14-3-2-4-15(10-14)21(23)24/h2-4,7-10H,5-6,11H2,1H3,(H,20,22)/b19-12+