N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(methylamino)-3-nitro-benzamide Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=CC(=C(C=C1)NC)[N+](=O)[O-])C2=CC(=CC=C2)OC

Isomeric SMILES

CCN(CC)[C@H](CNC(=O)C1=CC(=C(C=C1)NC)[N+](=O)[O-])C2=CC(=CC=C2)OC

InChI

InChI=1S/C21H28N4O4/c1-5-24(6-2)20(15-8-7-9-17(12-15)29-4)14-23-21(26)16-10-11-18(22-3)19(13-16)25(27)28/h7-13,20,22H,5-6,14H2,1-4H3,(H,23,26)/t20-/m1/s1