N-[(E)-[3-(1,3-benzodioxol-5-yl)-2-methyl-propylidene]amino]-4-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)C=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OCO2)/C=N/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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