2-[(4-methoxyphenyl)-[(4-nitrophenyl)methyl]carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[(4-methoxyphenyl)-[(4-nitrophenyl)methyl]carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[(4-methoxyphenyl)-[(4-nitrophenyl)methyl]carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[4-methoxy-N-[(4-nitrophenyl)methyl]anilino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[(4-methoxyphenyl)-[(4-nitrophenyl)methyl]carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[(4-methoxyphenyl)-(4-nitrobenzyl)carbamoyl]-6-nitro-benzoic acid Formula: C22H17N3O8 MolecularWeight: 451.38568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H17N3O8/c1-33-17-11-9-15(10-12-17)23(13-14-5-7-16(8-6-14)24(29)30)21(26)18-3-2-4-19(25(31)32)20(18)22(27)28/h2-12H,13H2,1H3,(H,27,28)