4-[(4-azanyl-2-methoxy-phenyl)amino]-3,5-dinitro-benzenesulfonic acid

Systemtic Name: 4-[(4-azanyl-2-methoxy-phenyl)amino]-3,5-dinitro-benzenesulfonic acid Openeye Name: 4-(4-amino-2-methoxy-anilino)-3,5-dinitro-benzenesulfonic acid CAS Name: 4-(4-amino-2-methoxyanilino)-3,5-dinitrobenzenesulfonic acid IUPAC Name: 4-(4-amino-2-methoxyanilino)-3,5-dinitrobenzenesulfonic acid Traditional Name: 4-(4-amino-2-methoxy-anilino)-3,5-dinitro-besylic acid Formula: C13H12N4O8S MolecularWeight: 384.32138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N)NC2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)N)NC2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O8S/c1-25-12-4-7(14)2-3-9(12)15-13-10(16(18)19)5-8(26(22,23)24)6-11(13)17(20)21/h2-6,15H,14H2,1H3,(H,22,23,24)