3-[4-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-yl]phenol

Systemtic Name: 3-[4-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-yl]phenol Openeye Name: 3-[4-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-yl]phenol CAS Name: 3-[4-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-yl]phenol IUPAC Name: 3-[4-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-yl]phenol Traditional Name: 3-[4-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-yl]phenol Formula: C21H17N3O3 MolecularWeight: 359.37798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=CC=CC=C2N=C1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=CC=C4)O

Isomeric SMILES

C1C(NC2=CC=CC=C2N=C1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=CC=C4)O

InChI

InChI=1S/C21H17N3O3/c25-17-5-3-4-15(12-17)21-13-20(14-8-10-16(11-9-14)24(26)27)22-18-6-1-2-7-19(18)23-21/h1-12,21,23,25H,13H2