2-azanyl-4-(4-methoxyphenyl)sulfonyl-3-nitro-5-(phenylmethyl)benzoic acid

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)sulfonyl-3-nitro-5-(phenylmethyl)benzoic acid Openeye Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-3-nitro-benzoic acid CAS Name: 2-amino-4-(4-methoxyphenyl)sulfonyl-3-nitro-5-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-3-nitrobenzoic acid Traditional Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-3-nitro-benzoic acid Formula: C21H18N2O7S MolecularWeight: 442.44182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2[N+](=O)[O-])N)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2[N+](=O)[O-])N)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O7S/c1-30-15-7-9-16(10-8-15)31(28,29)20-14(11-13-5-3-2-4-6-13)12-17(21(24)25)18(22)19(20)23(26)27/h2-10,12H,11,22H2,1H3,(H,24,25)