2-(furan-2-yl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 2-(furan-2-yl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 2-(2-furyl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium CAS Name: 2-(2-furanyl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 2-(furan-2-yl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 2-(2-furyl)-7-methoxy-5-(4-nitrophenyl)-4H-1,3,4-benzotriazepin-1-ium Formula: C19H15N4O4+ MolecularWeight: 363.3468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=CO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=CO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O4/c1-26-14-8-9-16-15(11-14)18(12-4-6-13(7-5-12)23(24)25)21-22-19(20-16)17-3-2-10-27-17/h2-11,21H,1H3/p+1