tert-butyl 6-[bis(2-chloroethyl)amino]-2-methyl-7-nitro-4-oxidanylidene-quinazoline-3-carboxylate

Systemtic Name: tert-butyl 6-[bis(2-chloroethyl)amino]-2-methyl-7-nitro-4-oxidanylidene-quinazoline-3-carboxylate Openeye Name: tert-butyl 6-[bis(2-chloroethyl)amino]-2-methyl-7-nitro-4-oxo-quinazoline-3-carboxylate CAS Name: 6-[bis(2-chloroethyl)amino]-2-methyl-7-nitro-4-oxo-3-quinazolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[bis(2-chloroethyl)amino]-2-methyl-7-nitro-4-oxoquinazoline-3-carboxylate Traditional Name: 6-[bis(2-chloroethyl)amino]-4-keto-2-methyl-7-nitro-quinazoline-3-carboxylic acid tert-butyl ester Formula: C18H22Cl2N4O5 MolecularWeight: 445.29708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2C(=O)N1C(=O)OC(C)(C)C)N(CCCl)CCCl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC(=C(C=C2C(=O)N1C(=O)OC(C)(C)C)N(CCCl)CCCl)[N+](=O)[O-]

InChI

InChI=1S/C18H22Cl2N4O5/c1-11-21-13-10-15(24(27)28)14(22(7-5-19)8-6-20)9-12(13)16(25)23(11)17(26)29-18(2,3)4/h9-10H,5-8H2,1-4H3