2-[[(5-chloranyl-2-methoxy-phenyl)amino]-(ethenylamino)amino]-5-sulfo-benzoic acid

Systemtic Name: 2-[[(5-chloranyl-2-methoxy-phenyl)amino]-(ethenylamino)amino]-5-sulfo-benzoic acid Openeye Name: 2-[(5-chloro-2-methoxy-anilino)-(vinylamino)amino]-5-sulfo-benzoic acid CAS Name: 2-[(5-chloro-2-methoxyanilino)-(ethenylamino)amino]-5-sulfobenzoic acid IUPAC Name: 2-[(5-chloro-2-methoxyanilino)-(ethenylamino)amino]-5-sulfobenzoic acid Traditional Name: 2-[(5-chloro-2-methoxy-anilino)-(vinylamino)amino]-5-sulfo-benzoic acid Formula: C16H16ClN3O6S MolecularWeight: 413.83274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NN(C2=C(C=C(C=C2)S(=O)(=O)O)C(=O)O)NC=C

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NN(C2=C(C=C(C=C2)S(=O)(=O)O)C(=O)O)NC=C

InChI

InChI=1S/C16H16ClN3O6S/c1-3-18-20(19-13-8-10(17)4-7-15(13)26-2)14-6-5-11(27(23,24)25)9-12(14)16(21)22/h3-9,18-19H,1H2,2H3,(H,21,22)(H,23,24,25)