N-[2-[(7-chloranyl-2-cyclopropyl-quinazolin-4-yl)amino]ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[(7-chloranyl-2-cyclopropyl-quinazolin-4-yl)amino]ethyl]-3-nitro-benzamide Openeye Name: N-[2-[(7-chloro-2-cyclopropyl-quinazolin-4-yl)amino]ethyl]-3-nitro-benzamide CAS Name: N-[2-[(7-chloro-2-cyclopropyl-4-quinazolinyl)amino]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(7-chloro-2-cyclopropylquinazolin-4-yl)amino]ethyl]-3-nitrobenzamide Traditional Name: N-[2-[(7-chloro-2-cyclopropyl-quinazolin-4-yl)amino]ethyl]-3-nitro-benzamide Formula: C20H18ClN5O3 MolecularWeight: 411.84162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(C=CC(=C3)Cl)C(=N2)NCCNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NC3=C(C=CC(=C3)Cl)C(=N2)NCCNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN5O3/c21-14-6-7-16-17(11-14)24-18(12-4-5-12)25-19(16)22-8-9-23-20(27)13-2-1-3-15(10-13)26(28)29/h1-3,6-7,10-12H,4-5,8-9H2,(H,23,27)(H,22,24,25)