2-[(1-cyclopropyl-6-fluoranyl-3-methoxycarbonyl-8-nitro-4-oxidanylidene-quinolin-7-yl)amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[(1-cyclopropyl-6-fluoranyl-3-methoxycarbonyl-8-nitro-4-oxidanylidene-quinolin-7-yl)amino]-3-methyl-pentanoic acid Openeye Name: 2-[(1-cyclopropyl-6-fluoro-3-methoxycarbonyl-8-nitro-4-oxo-7-quinolyl)amino]-3-methyl-pentanoic acid CAS Name: 2-[(1-cyclopropyl-6-fluoro-3-methoxycarbonyl-8-nitro-4-oxo-7-quinolinyl)amino]-3-methylpentanoic acid IUPAC Name: 2-[(1-cyclopropyl-6-fluoro-3-methoxycarbonyl-8-nitro-4-oxoquinolin-7-yl)amino]-3-methylpentanoic acid Traditional Name: 2-[(3-carbomethoxy-1-cyclopropyl-6-fluoro-4-keto-8-nitro-7-quinolyl)amino]-3-methyl-valeric acid Formula: C20H22FN3O7 MolecularWeight: 435.402983

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC1=C(C=C2C(=C1[N+](=O)[O-])N(C=C(C2=O)C(=O)OC)C3CC3)F

Isomeric SMILES

CCC(C)C(C(=O)O)NC1=C(C=C2C(=C1[N+](=O)[O-])N(C=C(C2=O)C(=O)OC)C3CC3)F

InChI

InChI=1S/C20H22FN3O7/c1-4-9(2)14(19(26)27)22-15-13(21)7-11-16(17(15)24(29)30)23(10-5-6-10)8-12(18(11)25)20(28)31-3/h7-10,14,22H,4-6H2,1-3H3,(H,26,27)