[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino] 2-nitrobenzoate

Systemtic Name: [(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino] 2-nitrobenzoate Openeye Name: [(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino] ester IUPAC Name: [(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino] ester Formula: C20H16N4O5 MolecularWeight: 392.36484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5/c1-3-10-23(29-20(26)15-6-4-5-7-18(15)24(27)28)12-14-8-9-17-16(11-14)19(25)22-13(2)21-17/h1,4-9,11H,10,12H2,2H3,(H,21,22,25)