7-[(S)-(butanoylamino)-(2,4-dichlorophenyl)methyl]-5-nitro-quinolin-8-olate

Systemtic Name: 7-[(S)-(butanoylamino)-(2,4-dichlorophenyl)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(S)-(butanoylamino)-(2,4-dichlorophenyl)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(S)-(2,4-dichlorophenyl)-(1-oxobutylamino)methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(S)-(butanoylamino)-(2,4-dichlorophenyl)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(S)-butyramido-(2,4-dichlorophenyl)methyl]-5-nitro-quinolin-8-olate Formula: C20H16Cl2N3O4- MolecularWeight: 433.26474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C1=C(C=C(C=C1)Cl)Cl)C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N[C@H](C1=C(C=C(C=C1)Cl)Cl)C2=CC(=C3C=CC=NC3=C2[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H17Cl2N3O4/c1-2-4-17(26)24-18(12-7-6-11(21)9-15(12)22)14-10-16(25(28)29)13-5-3-8-23-19(13)20(14)27/h3,5-10,18,27H,2,4H2,1H3,(H,24,26)/p-1/t18-/m1/s1