2-[(4-methoxy-2-nitro-phenoxy)methyl]quinazolin-3-ium-4-amine

Systemtic Name: 2-[(4-methoxy-2-nitro-phenoxy)methyl]quinazolin-3-ium-4-amine Openeye Name: 2-[(4-methoxy-2-nitro-phenoxy)methyl]quinazolin-3-ium-4-amine CAS Name: 2-[(4-methoxy-2-nitrophenoxy)methyl]-4-quinazolin-3-iumamine IUPAC Name: 2-[(4-methoxy-2-nitrophenoxy)methyl]quinazolin-3-ium-4-amine Traditional Name: [2-[(4-methoxy-2-nitro-phenoxy)methyl]quinazolin-3-ium-4-yl]amine Formula: C16H15N4O4+ MolecularWeight: 327.3147

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC2=NC3=CC=CC=C3C(=[NH+]2)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OCC2=NC3=CC=CC=C3C(=[NH+]2)N)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4/c1-23-10-6-7-14(13(8-10)20(21)22)24-9-15-18-12-5-3-2-4-11(12)16(17)19-15/h2-8H,9H2,1H3,(H2,17,18,19)/p+1