N-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[3-(1-cyclopropyl-5-tetrazolyl)phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholino-5-nitro-benzamide Formula: C21H21N7O4 MolecularWeight: 435.43594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)C3=CC(=CC=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

C1CC1N2C(=NN=N2)C3=CC(=CC=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C21H21N7O4/c29-21(18-13-17(28(30)31)6-7-19(18)26-8-10-32-11-9-26)22-15-3-1-2-14(12-15)20-23-24-25-27(20)16-4-5-16/h1-3,6-7,12-13,16H,4-5,8-11H2,(H,22,29)