methyl 2-[[2-(2-cyanophenyl)-3-methyl-4-oxidanylidene-quinazolin-5-yl]methyl-pentanoyl-amino]-3-nitro-benzoate

Systemtic Name: methyl 2-[[2-(2-cyanophenyl)-3-methyl-4-oxidanylidene-quinazolin-5-yl]methyl-pentanoyl-amino]-3-nitro-benzoate Openeye Name: methyl 2-[[2-(2-cyanophenyl)-3-methyl-4-oxo-quinazolin-5-yl]methyl-pentanoyl-amino]-3-nitro-benzoate CAS Name: 2-[[2-(2-cyanophenyl)-3-methyl-4-oxo-5-quinazolinyl]methyl-(1-oxopentyl)amino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-cyanophenyl)-3-methyl-4-oxoquinazolin-5-yl]methyl-pentanoylamino]-3-nitrobenzoate Traditional Name: 2-[[2-(2-cyanophenyl)-4-keto-3-methyl-quinazolin-5-yl]methyl-valeryl-amino]-3-nitro-benzoic acid methyl ester Formula: C30H27N5O6 MolecularWeight: 553.56528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=C2C(=CC=C1)N=C(N(C2=O)C)C3=CC=CC=C3C#N)C4=C(C=CC=C4[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCC(=O)N(CC1=C2C(=CC=C1)N=C(N(C2=O)C)C3=CC=CC=C3C#N)C4=C(C=CC=C4[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C30H27N5O6/c1-4-5-16-25(36)34(27-22(30(38)41-3)13-9-15-24(27)35(39)40)18-20-11-8-14-23-26(20)29(37)33(2)28(32-23)21-12-7-6-10-19(21)17-31/h6-15H,4-5,16,18H2,1-3H3