5-[(3-nitrophenyl)methyl-[(4-nitrophenyl)methyl]amino]-1H-indole-2-carboxylic acid

Systemtic Name: 5-[(3-nitrophenyl)methyl-[(4-nitrophenyl)methyl]amino]-1H-indole-2-carboxylic acid Openeye Name: 5-[(3-nitrophenyl)methyl-[(4-nitrophenyl)methyl]amino]-1H-indole-2-carboxylic acid CAS Name: 5-[(3-nitrophenyl)methyl-[(4-nitrophenyl)methyl]amino]-1H-indole-2-carboxylic acid IUPAC Name: 5-[(3-nitrophenyl)methyl-[(4-nitrophenyl)methyl]amino]-1H-indole-2-carboxylic acid Traditional Name: 5-[(3-nitrobenzyl)-(4-nitrobenzyl)amino]-1H-indole-2-carboxylic acid Formula: C23H18N4O6 MolecularWeight: 446.41222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)NC(=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)NC(=C4)C(=O)O

InChI

InChI=1S/C23H18N4O6/c28-23(29)22-12-17-11-19(8-9-21(17)24-22)25(13-15-4-6-18(7-5-15)26(30)31)14-16-2-1-3-20(10-16)27(32)33/h1-12,24H,13-14H2,(H,28,29)