5-(2-fluorophenyl)-7-nitro-N-prop-2-ynyl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 5-(2-fluorophenyl)-7-nitro-N-prop-2-ynyl-3H-1,4-benzodiazepin-2-amine Openeye Name: 5-(2-fluorophenyl)-7-nitro-N-prop-2-ynyl-3H-1,4-benzodiazepin-2-amine CAS Name: 5-(2-fluorophenyl)-7-nitro-N-prop-2-ynyl-3H-1,4-benzodiazepin-2-amine IUPAC Name: 5-(2-fluorophenyl)-7-nitro-N-prop-2-ynyl-3H-1,4-benzodiazepin-2-amine Traditional Name: [5-(2-fluorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]-propargyl-amine Formula: C18H13FN4O2 MolecularWeight: 336.319823

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=CC=C3F

Isomeric SMILES

C#CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=CC=C3F

InChI

InChI=1S/C18H13FN4O2/c1-2-9-20-17-11-21-18(13-5-3-4-6-15(13)19)14-10-12(23(24)25)7-8-16(14)22-17/h1,3-8,10H,9,11H2,(H,20,22)