4-methoxy-3-[(2-methoxy-4-nitro-5-sulfo-phenyl)carbamoylamino]-5-nitro-benzenesulfonic acid

Systemtic Name: 4-methoxy-3-[(2-methoxy-4-nitro-5-sulfo-phenyl)carbamoylamino]-5-nitro-benzenesulfonic acid Openeye Name: 4-methoxy-3-[(2-methoxy-4-nitro-5-sulfo-phenyl)carbamoylamino]-5-nitro-benzenesulfonic acid CAS Name: 4-methoxy-3-[[(2-methoxy-4-nitro-5-sulfoanilino)-oxomethyl]amino]-5-nitrobenzenesulfonic acid IUPAC Name: 4-methoxy-3-[(2-methoxy-4-nitro-5-sulfophenyl)carbamoylamino]-5-nitrobenzenesulfonic acid Traditional Name: 4-methoxy-3-[(2-methoxy-4-nitro-5-sulfo-phenyl)carbamoylamino]-5-nitro-besylic acid Formula: C15H14N4O13S2 MolecularWeight: 522.42066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)NC2=CC(=CC(=C2OC)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)NC2=CC(=CC(=C2OC)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O13S2/c1-31-12-6-10(18(21)22)13(34(28,29)30)5-8(12)16-15(20)17-9-3-7(33(25,26)27)4-11(19(23)24)14(9)32-2/h3-6H,1-2H3,(H2,16,17,20)(H,25,26,27)(H,28,29,30)