2-[(2,4-dinitrophenyl)amino]-3-(1H-indol-3-yl)propanoic acid hydrate

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]-3-(1H-indol-3-yl)propanoic acid hydrate Openeye Name: 2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propanoic acid hydrate CAS Name: 2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propanoic acid hydrate IUPAC Name: 2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propanoic acid hydrate Traditional Name: 2-(2,4-dinitroanilino)-3-(1H-indol-3-yl)propionic acid hydrate Formula: C17H16N4O7 MolecularWeight: 388.33154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].O

InChI

InChI=1S/C17H14N4O6.H2O/c22-17(23)15(7-10-9-18-13-4-2-1-3-12(10)13)19-14-6-5-11(20(24)25)8-16(14)21(26)27;/h1-6,8-9,15,18-19H,7H2,(H,22,23);1H2