(4-azanylquinazolin-2-yl)methyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c1-14-5-4-10-26(12-14)18-9-8-15(11-19(18)27(29)30)22(28)31-13-20-24-17-7-3-2-6-16(17)21(23)25-20/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H2,23,24,25)