[6-(3,4-diethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3-nitrophenyl)methanone

Systemtic Name: [6-(3,4-diethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3-nitrophenyl)methanone Openeye Name: [6-(3,4-diethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3-nitrophenyl)methanone CAS Name: [6-(3,4-diethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3-nitrophenyl)methanone IUPAC Name: [6-(3,4-diethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3-nitrophenyl)methanone Traditional Name: [6-(3,4-diethoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-(3-nitrophenyl)methanone Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(CCC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(CCC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H23N3O5/c1-3-28-19-11-10-15(14-20(19)29-4-2)18-9-6-12-23(22-18)21(25)16-7-5-8-17(13-16)24(26)27/h5,7-8,10-11,13-14H,3-4,6,9,12H2,1-2H3