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

Systemtic Name: 7-[(S)-acetamido-(2,4-dichlorophenyl)methyl]-5-nitro-quinolin-8-olate Openeye Name: 7-[(S)-acetamido-(2,4-dichlorophenyl)methyl]-5-nitro-quinolin-8-olate CAS Name: 7-[(S)-acetamido-(2,4-dichlorophenyl)methyl]-5-nitro-8-quinolinolate IUPAC Name: 7-[(S)-acetamido-(2,4-dichlorophenyl)methyl]-5-nitroquinolin-8-olate Traditional Name: 7-[(S)-acetamido-(2,4-dichlorophenyl)methyl]-5-nitro-quinolin-8-olate Formula: C18H12Cl2N3O4- MolecularWeight: 405.21158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=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/C18H13Cl2N3O4/c1-9(24)22-16(11-5-4-10(19)7-14(11)20)13-8-15(23(26)27)12-3-2-6-21-17(12)18(13)25/h2-8,16,25H,1H3,(H,22,24)/p-1/t16-/m1/s1