4-[[3-(3,6-dinitrocarbazol-9-yl)-2-oxidanyl-propyl]amino]benzoic acid

Systemtic Name: 4-[[3-(3,6-dinitrocarbazol-9-yl)-2-oxidanyl-propyl]amino]benzoic acid Openeye Name: 4-[[3-(3,6-dinitrocarbazol-9-yl)-2-hydroxy-propyl]amino]benzoic acid CAS Name: 4-[[3-(3,6-dinitro-9-carbazolyl)-2-hydroxypropyl]amino]benzoic acid IUPAC Name: 4-[[3-(3,6-dinitrocarbazol-9-yl)-2-hydroxypropyl]amino]benzoic acid Traditional Name: 4-[[3-(3,6-dinitrocarbazol-9-yl)-2-hydroxy-propyl]amino]benzoic acid Formula: C22H18N4O7 MolecularWeight: 450.40092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC(CN2C3=C(C=C(C=C3)[N+](=O)[O-])C4=C2C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC(CN2C3=C(C=C(C=C3)[N+](=O)[O-])C4=C2C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H18N4O7/c27-17(11-23-14-3-1-13(2-4-14)22(28)29)12-24-20-7-5-15(25(30)31)9-18(20)19-10-16(26(32)33)6-8-21(19)24/h1-10,17,23,27H,11-12H2,(H,28,29)