2-[(2E)-2-(2-azanyl-5-oxidanylidene-7-sulfo-naphthalen-1-ylidene)hydrazinyl]-5-nitro-benzoic acid

Systemtic Name: 2-[(2E)-2-(2-azanyl-5-oxidanylidene-7-sulfo-naphthalen-1-ylidene)hydrazinyl]-5-nitro-benzoic acid Openeye Name: 2-[(2E)-2-(2-amino-5-oxo-7-sulfo-1-naphthylidene)hydrazino]-5-nitro-benzoic acid CAS Name: 2-[(2E)-2-(2-amino-5-oxo-7-sulfo-1-naphthalenylidene)hydrazinyl]-5-nitrobenzoic acid IUPAC Name: 2-[(2E)-2-(2-amino-5-oxo-7-sulfonaphthalen-1-ylidene)hydrazinyl]-5-nitrobenzoic acid Traditional Name: 2-[(N'E)-N'-(2-amino-5-keto-7-sulfo-1-naphthylidene)hydrazino]-5-nitro-benzoic acid Formula: C17H12N4O8S MolecularWeight: 432.36418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)NN=C2C(=CC=C3C2=CC(=CC3=O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)N/N=C\2/C(=CC=C3C2=CC(=CC3=O)S(=O)(=O)O)N

InChI

InChI=1S/C17H12N4O8S/c18-13-3-2-10-11(6-9(7-15(10)22)30(27,28)29)16(13)20-19-14-4-1-8(21(25)26)5-12(14)17(23)24/h1-7,19H,18H2,(H,23,24)(H,27,28,29)/b20-16+