3-(2-butan-2-yloxyethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridazine-5-carboxylic acid

Systemtic Name: 3-(2-butan-2-yloxyethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridazine-5-carboxylic acid Openeye Name: 6-methyl-4-(3-nitrophenyl)-3-(2-sec-butoxyethyl)-1,4-dihydropyridazine-5-carboxylic acid CAS Name: 3-(2-butan-2-yloxyethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridazine-5-carboxylic acid IUPAC Name: 3-(2-butan-2-yloxyethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridazine-5-carboxylic acid Traditional Name: 6-methyl-4-(3-nitrophenyl)-3-(2-sec-butoxyethyl)-1,4-dihydropyridazine-5-carboxylic acid Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OCCC1=NNC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CCC(C)OCCC1=NNC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C18H23N3O5/c1-4-11(2)26-9-8-15-17(16(18(22)23)12(3)19-20-15)13-6-5-7-14(10-13)21(24)25/h5-7,10-11,17,19H,4,8-9H2,1-3H3,(H,22,23)