[4-[(E)-(2-methyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [4-[(E)-(2-methyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [4-[(E)-(2-methyl-4-oxo-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-[(E)-(2-methyl-4-oxo-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] ester IUPAC Name: [4-[(E)-(2-methyl-4-oxo-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-[(E)-(4-keto-2-methyl-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] ester Formula: C23H16N5O7+ MolecularWeight: 474.40244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2C=CC=CC2=N1)N=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=[N+](C(=O)C2C=CC=CC2=N1)/N=C/C3=CC=C(C=C3)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H16N5O7/c1-14-25-21-5-3-2-4-20(21)22(29)26(14)24-13-15-6-8-19(9-7-15)35-23(30)16-10-17(27(31)32)12-18(11-16)28(33)34/h2-13,20H,1H3/q+1/b24-13+