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

Systemtic Name: 4-methoxy-5-[(2-methoxy-4-nitro-5-sulfo-phenyl)carbamoylamino]-2-nitro-benzenesulfonic acid Openeye Name: 4-methoxy-5-[(2-methoxy-4-nitro-5-sulfo-phenyl)carbamoylamino]-2-nitro-benzenesulfonic acid CAS Name: 4-methoxy-5-[[(2-methoxy-4-nitro-5-sulfoanilino)-oxomethyl]amino]-2-nitrobenzenesulfonic acid IUPAC Name: 4-methoxy-5-[(2-methoxy-4-nitro-5-sulfophenyl)carbamoylamino]-2-nitrobenzenesulfonic acid Traditional Name: 4-methoxy-5-[(2-methoxy-4-nitro-5-sulfo-phenyl)carbamoylamino]-2-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(=C(C=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(=C(C=C2OC)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

InChI

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