1-(2-dimethylaminoethyl)-5-methyl-7-(3-nitrophenyl)-2-oxidanylidene-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Systemtic Name: 1-(2-dimethylaminoethyl)-5-methyl-7-(3-nitrophenyl)-2-oxidanylidene-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 1-(2-dimethylaminoethyl)-5-methyl-7-(3-nitrophenyl)-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 1-(2-dimethylaminoethyl)-5-methyl-7-(3-nitrophenyl)-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid IUPAC Name: 1-(2-dimethylaminoethyl)-5-methyl-7-(3-nitrophenyl)-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 1-(2-dimethylaminoethyl)-2-keto-5-methyl-7-(3-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=CC(=O)N2CCN(C)C)N1)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N2C(=CC(=O)N2CCN(C)C)N1)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H21N5O5/c1-11-16(18(25)26)17(12-5-4-6-13(9-12)23(27)28)22-14(19-11)10-15(24)21(22)8-7-20(2)3/h4-6,9-10,17,19H,7-8H2,1-3H3,(H,25,26)