N-[(Z)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-3-nitro-benzamide

Systemtic Name: N-[(Z)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-3-nitro-benzamide Openeye Name: N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]amino]-3-nitro-benzamide CAS Name: N-[(Z)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-3-nitrobenzamide IUPAC Name: N-[(Z)-[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-3-nitrobenzamide Traditional Name: N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)-1-methyl-prop-2-enylidene]amino]-3-nitro-benzamide Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5/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/h2-10H,11H2,1H3,(H,20,22)/b6-5+,19-12-