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

Systemtic Name: N-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[3-(1-cyclopropyl-5-tetrazolyl)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-morpholino-3-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=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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