N-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-keto-propyl]-4-nitro-benzamide Formula: C17H15N3O6 MolecularWeight: 357.3175

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6/c21-16(19-12-3-6-14-15(9-12)26-10-25-14)7-8-18-17(22)11-1-4-13(5-2-11)20(23)24/h1-6,9H,7-8,10H2,(H,18,22)(H,19,21)