[(2S)-4-(3-methyl-4-nitro-phenyl)carbonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-yl-methanone

Systemtic Name: [(2S)-4-(3-methyl-4-nitro-phenyl)carbonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-yl-methanone Openeye Name: [(2S)-4-(3-methyl-4-nitro-benzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-(1-piperidyl)methanone CAS Name: [(2S)-4-[(3-methyl-4-nitrophenyl)-oxomethyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-(1-piperidinyl)methanone IUPAC Name: [(2S)-4-(3-methyl-4-nitrobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone Traditional Name: [(2S)-4-(3-methyl-4-nitro-benzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidino-methanone Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC(OC3=CC=CC=C32)C(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5/c1-15-13-16(9-10-17(15)25(28)29)21(26)24-14-20(22(27)23-11-5-2-6-12-23)30-19-8-4-3-7-18(19)24/h3-4,7-10,13,20H,2,5-6,11-12,14H2,1H3/t20-/m0/s1