N-[(E)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]furan-2-carboxamide

Systemtic Name: N-[(E)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]furan-2-carboxamide Openeye Name: N-[(E)-1-(azepane-1-carbonyl)-2-(3-nitrophenyl)vinyl]furan-2-carboxamide CAS Name: N-[(E)-3-(1-azepanyl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-furancarboxamide IUPAC Name: N-[(E)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide Traditional Name: N-[(E)-1-(azepane-1-carbonyl)-2-(3-nitrophenyl)vinyl]-2-furamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)C(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H21N3O5/c24-19(18-9-6-12-28-18)21-17(20(25)22-10-3-1-2-4-11-22)14-15-7-5-8-16(13-15)23(26)27/h5-9,12-14H,1-4,10-11H2,(H,21,24)/b17-14+