2-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-phenyl-4aH-quinazolin-3-ium-4-one

Systemtic Name: 2-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-phenyl-4aH-quinazolin-3-ium-4-one Openeye Name: 2-[(2E)-2-[(3-nitrophenyl)methylene]hydrazino]-3-phenyl-4aH-quinazolin-3-ium-4-one CAS Name: 2-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-phenyl-4aH-quinazolin-3-ium-4-one IUPAC Name: 2-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-phenyl-4aH-quinazolin-3-ium-4-one Traditional Name: 2-[(N'E)-N'-(3-nitrobenzylidene)hydrazino]-3-phenyl-4aH-quinazolin-3-ium-4-one Formula: C21H16N5O3+ MolecularWeight: 386.38344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=C3C=CC=CC3C2=O)NN=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=C3C=CC=CC3C2=O)N/N=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O3/c27-20-18-11-4-5-12-19(18)23-21(25(20)16-8-2-1-3-9-16)24-22-14-15-7-6-10-17(13-15)26(28)29/h1-14,18H/p+1/b22-14+