2-(4-acetamidophenyl)-6-methoxy-8-nitro-quinoline-5-sulfinic acid

Systemtic Name: 2-(4-acetamidophenyl)-6-methoxy-8-nitro-quinoline-5-sulfinic acid Openeye Name: 2-(4-acetamidophenyl)-6-methoxy-8-nitro-quinoline-5-sulfinic acid CAS Name: 2-(4-acetamidophenyl)-6-methoxy-8-nitro-5-quinolinesulfinic acid IUPAC Name: 2-(4-acetamidophenyl)-6-methoxy-8-nitroquinoline-5-sulfinic acid Traditional Name: 2-(4-acetamidophenyl)-6-methoxy-8-nitro-quinoline-5-sulfinic acid Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=C2)C(=C(C=C3[N+](=O)[O-])OC)S(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=C2)C(=C(C=C3[N+](=O)[O-])OC)S(=O)O

InChI

InChI=1S/C18H15N3O6S/c1-10(22)19-12-5-3-11(4-6-12)14-8-7-13-17(20-14)15(21(23)24)9-16(27-2)18(13)28(25)26/h3-9H,1-2H3,(H,19,22)(H,25,26)