4-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-2-methyl-1-(tetralin-1-ylcarbamoyl)propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-3-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-3-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-2-methyl-1-(tetralin-1-ylcarbamoyl)propyl]-3-nitro-benzamide Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCC2=CC=CC=C12)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1CCCC2=CC=CC=C12)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN3O4/c1-13(2)20(25-21(27)15-10-11-17(23)19(12-15)26(29)30)22(28)24-18-9-5-7-14-6-3-4-8-16(14)18/h3-4,6,8,10-13,18,20H,5,7,9H2,1-2H3,(H,24,28)(H,25,27)/t18?,20-/m0/s1