7-chloranyl-2-[[ethyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[ethyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azaniumyl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[ethyl-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]ammonio]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[ethyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]ammonio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[ethyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]azaniumyl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[ethyl-[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]ammonio]methyl]quinazolin-4-olate Formula: C20H20ClN5O4 MolecularWeight: 429.8569

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H20ClN5O4/c1-3-25(10-18-22-17-8-13(21)5-7-15(17)20(28)24-18)11-19(27)23-16-9-14(26(29)30)6-4-12(16)2/h4-9H,3,10-11H2,1-2H3,(H,23,27)(H,22,24,28)