2-[(2-azanyl-4-nitro-phenyl)amino]-4-methyl-benzenesulfonate; 1-methylquinolin-1-ium-2-carbaldehyde

Systemtic Name: 2-[(2-azanyl-4-nitro-phenyl)amino]-4-methyl-benzenesulfonate; 1-methylquinolin-1-ium-2-carbaldehyde Openeye Name: 2-(2-amino-4-nitro-anilino)-4-methyl-benzenesulfonate; 1-methylquinolin-1-ium-2-carbaldehyde CAS Name: 2-(2-amino-4-nitroanilino)-4-methylbenzenesulfonate; 1-methyl-2-quinolin-1-iumcarboxaldehyde IUPAC Name: 2-(2-amino-4-nitroanilino)-4-methylbenzenesulfonate; 1-methylquinolin-1-ium-2-carbaldehyde Traditional Name: 2-(2-amino-4-nitro-anilino)-4-methyl-besylate; 1-methylquinolin-1-ium-2-carbaldehyde Formula: C24H22N4O6S MolecularWeight: 494.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])NC2=C(C=C(C=C2)[N+](=O)[O-])N.C[N+]1=C(C=CC2=CC=CC=C21)C=O

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])NC2=C(C=C(C=C2)[N+](=O)[O-])N.C[N+]1=C(C=CC2=CC=CC=C21)C=O

InChI

InChI=1S/C13H13N3O5S.C11H10NO/c1-8-2-5-13(22(19,20)21)12(6-8)15-11-4-3-9(16(17)18)7-10(11)14;1-12-10(8-13)7-6-9-4-2-3-5-11(9)12/h2-7,15H,14H2,1H3,(H,19,20,21);2-8H,1H3/q;+1/p-1