1-cyclopropyl-7-methyl-6,8-dinitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-methyl-6,8-dinitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-methyl-6,8-dinitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-methyl-6,8-dinitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-methyl-6,8-dinitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-7-methyl-6,8-dinitro-quinoline-3-carboxylic acid Formula: C14H11N3O7 MolecularWeight: 333.25304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1[N+](=O)[O-])N(C=C(C2=O)C(=O)O)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1[N+](=O)[O-])N(C=C(C2=O)C(=O)O)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O7/c1-6-10(16(21)22)4-8-12(11(6)17(23)24)15(7-2-3-7)5-9(13(8)18)14(19)20/h4-5,7H,2-3H2,1H3,(H,19,20)