2-[(2,4-dichlorophenyl)-(2,4-dinitrophenyl)carbonyl-carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(2,4-dichlorophenyl)-(2,4-dinitrophenyl)carbonyl-carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[(2,4-dichlorophenyl)-(2,4-dinitrobenzoyl)carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[(2,4-dichloro-N-[(2,4-dinitrophenyl)-oxomethyl]anilino)-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(2,4-dichlorophenyl)-(2,4-dinitrobenzoyl)carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(2,4-dichlorophenyl)-(2,4-dinitrobenzoyl)carbamoyl]-3-nitro-benzoic acid Formula: C21H10Cl2N4O10 MolecularWeight: 549.2309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H10Cl2N4O10/c22-10-4-7-15(14(23)8-10)24(19(28)12-6-5-11(25(32)33)9-17(12)27(36)37)20(29)18-13(21(30)31)2-1-3-16(18)26(34)35/h1-9H,(H,30,31)