N-[(E)-3-(azepan-1-yl)-1-(5-nitrofuran-2-yl)-3-oxidanylidene-prop-1-en-2-yl]benzamide

Systemtic Name: N-[(E)-3-(azepan-1-yl)-1-(5-nitrofuran-2-yl)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: N-[(E)-1-(azepane-1-carbonyl)-2-(5-nitro-2-furyl)vinyl]benzamide CAS Name: N-[(E)-3-(1-azepanyl)-1-(5-nitro-2-furanyl)-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: N-[(E)-3-(azepan-1-yl)-1-(5-nitrofuran-2-yl)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: N-[(E)-1-(azepane-1-carbonyl)-2-(5-nitro-2-furyl)vinyl]benzamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC=C(O2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)/C(=C\C2=CC=C(O2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O5/c24-19(15-8-4-3-5-9-15)21-17(14-16-10-11-18(28-16)23(26)27)20(25)22-12-6-1-2-7-13-22/h3-5,8-11,14H,1-2,6-7,12-13H2,(H,21,24)/b17-14+