7-methoxy-5-(4-nitrophenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-methoxy-5-(4-nitrophenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-methoxy-5-(4-nitrophenyl)-2-(4-pyridyl)-4H-1,3,4-benzotriazepine CAS Name: 7-methoxy-5-(4-nitrophenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-methoxy-5-(4-nitrophenyl)-2-pyridin-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-methoxy-5-(4-nitrophenyl)-2-(4-pyridyl)-4H-1,3,4-benzotriazepine Formula: C20H15N5O3 MolecularWeight: 373.3648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O3/c1-28-16-6-7-18-17(12-16)19(13-2-4-15(5-3-13)25(26)27)23-24-20(22-18)14-8-10-21-11-9-14/h2-12,23H,1H3