N-[3-azanyl-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-butoxy-benzamide

Systemtic Name: N-[3-azanyl-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-butoxy-benzamide Openeye Name: 4-butoxy-N-[1-carbamoyl-2-(3-nitrophenyl)vinyl]benzamide CAS Name: N-[3-amino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide IUPAC Name: N-[3-amino-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide Traditional Name: 4-butoxy-N-[1-carbamoyl-2-(3-nitrophenyl)vinyl]benzamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C20H21N3O5/c1-2-3-11-28-17-9-7-15(8-10-17)20(25)22-18(19(21)24)13-14-5-4-6-16(12-14)23(26)27/h4-10,12-13H,2-3,11H2,1H3,(H2,21,24)(H,22,25)