2-[(2,4-dinitrophenyl)amino]-3-[2-(2,4-dinitrophenyl)-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]-3-[2-(2,4-dinitrophenyl)-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-(2,4-dinitroanilino)-3-[2-(2,4-dinitrophenyl)-4-hydroxy-phenyl]propanoic acid CAS Name: 2-(2,4-dinitroanilino)-3-[2-(2,4-dinitrophenyl)-4-hydroxyphenyl]propanoic acid IUPAC Name: 2-(2,4-dinitroanilino)-3-[2-(2,4-dinitrophenyl)-4-hydroxyphenyl]propanoic acid Traditional Name: 2-(2,4-dinitroanilino)-3-[2-(2,4-dinitrophenyl)-4-hydroxy-phenyl]propionic acid Formula: C21H15N5O11 MolecularWeight: 513.3707

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N5O11/c27-14-4-1-11(16(10-14)15-5-2-12(23(30)31)8-19(15)25(34)35)7-18(21(28)29)22-17-6-3-13(24(32)33)9-20(17)26(36)37/h1-6,8-10,18,22,27H,7H2,(H,28,29)