3-ethyl-6-methyl-4-(3-nitrophenyl)-1-(3-nitrophenyl)carbonyl-4H-pyridazine-5-carboxylic acid

Systemtic Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-1-(3-nitrophenyl)carbonyl-4H-pyridazine-5-carboxylic acid Openeye Name: 3-ethyl-6-methyl-1-(3-nitrobenzoyl)-4-(3-nitrophenyl)-4H-pyridazine-5-carboxylic acid CAS Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-1-[(3-nitrophenyl)-oxomethyl]-4H-pyridazine-5-carboxylic acid IUPAC Name: 3-ethyl-6-methyl-1-(3-nitrobenzoyl)-4-(3-nitrophenyl)-4H-pyridazine-5-carboxylic acid Traditional Name: 3-ethyl-6-methyl-1-(3-nitrobenzoyl)-4-(3-nitrophenyl)-4H-pyridazine-5-carboxylic acid Formula: C21H18N4O7 MolecularWeight: 438.39022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O7/c1-3-17-19(13-6-4-8-15(10-13)24(29)30)18(21(27)28)12(2)23(22-17)20(26)14-7-5-9-16(11-14)25(31)32/h4-11,19H,3H2,1-2H3,(H,27,28)