4-(ethylamino)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-nitro-benzamide

Systemtic Name: 4-(ethylamino)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-nitro-benzamide Openeye Name: 4-(ethylamino)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-nitro-benzamide CAS Name: 4-(ethylamino)-N-[(1R)-1-[4-(1-imidazolyl)phenyl]ethyl]-3-nitrobenzamide IUPAC Name: 4-(ethylamino)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-nitrobenzamide Traditional Name: 4-(ethylamino)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-nitro-benzamide Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)NC(C)C2=CC=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)N[C@H](C)C2=CC=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-3-22-18-9-6-16(12-19(18)25(27)28)20(26)23-14(2)15-4-7-17(8-5-15)24-11-10-21-13-24/h4-14,22H,3H2,1-2H3,(H,23,26)/t14-/m1/s1