2-[[4-[(2,4-dinitrophenyl)amino]phenyl]carbamoyl]benzoate

Systemtic Name: 2-[[4-[(2,4-dinitrophenyl)amino]phenyl]carbamoyl]benzoate Openeye Name: 2-[[4-(2,4-dinitroanilino)phenyl]carbamoyl]benzoate CAS Name: 2-[[4-(2,4-dinitroanilino)anilino]-oxomethyl]benzoate IUPAC Name: 2-[[4-(2,4-dinitroanilino)phenyl]carbamoyl]benzoate Traditional Name: 2-[[4-(2,4-dinitroanilino)phenyl]carbamoyl]benzoate Formula: C20H13N4O7- MolecularWeight: 421.33982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C20H14N4O7/c25-19(15-3-1-2-4-16(15)20(26)27)22-13-7-5-12(6-8-13)21-17-10-9-14(23(28)29)11-18(17)24(30)31/h1-11,21H,(H,22,25)(H,26,27)/p-1