3-[(4-nitro-2-sulfo-phenyl)carbonylamino]naphthalene-2-carboxylic acid

Systemtic Name: 3-[(4-nitro-2-sulfo-phenyl)carbonylamino]naphthalene-2-carboxylic acid Openeye Name: 3-[(4-nitro-2-sulfo-benzoyl)amino]naphthalene-2-carboxylic acid CAS Name: 3-[[(4-nitro-2-sulfophenyl)-oxomethyl]amino]-2-naphthalenecarboxylic acid IUPAC Name: 3-[(4-nitro-2-sulfobenzoyl)amino]naphthalene-2-carboxylic acid Traditional Name: 3-[(4-nitro-2-sulfo-benzoyl)amino]-2-naphthoic acid Formula: C18H12N2O8S MolecularWeight: 416.36148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)O)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)O)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C18H12N2O8S/c21-17(13-6-5-12(20(24)25)9-16(13)29(26,27)28)19-15-8-11-4-2-1-3-10(11)7-14(15)18(22)23/h1-9H,(H,19,21)(H,22,23)(H,26,27,28)